SEQ2FUN

BioLiP

PDB CCD ID: P3P
Number of entries in BioLiP: 11
Chemical formula: C5 H13 N O7 P2
InChI: InChI=1S/C5H13NO7P2/c1-14(9,13-15(10,11)12)3-2-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)(H2,10,11,12)/t4-,14+/m0/s1
InChIKey: UXRZHSKRCMUNIN-YZSVAWROSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0CP(=O)(CCC(C(=O)O)N)OP(=O)(O)O
CACTVS 3.341C[P@](=O)(CC[C@H](N)C(O)=O)O[P](O)(O)=O
OpenEye OEToolkits 1.5.0C[P@](=O)(CC[C@@H](C(=O)O)N)OP(=O)(O)O
CACTVS 3.341C[P](=O)(CC[CH](N)C(O)=O)O[P](O)(O)=O
ACDLabs 10.04O=P(OP(=O)(O)O)(CCC(C(=O)O)N)C
Name:(2S)-2-AMINO-4-[METHYL(PHOSPHONOOXY)PHOSPHORYL]BUTANOIC ACID;
PHOSPHINOTHRICIN PHOSPHATE
ZINC: ZINC000038788873
Reference:
  • Chengxin Zhang, Xi Zhang, Lydia Freddolino, and Yang Zhang. BioLiP2: an updated structure database for biologically relevent ligand-protein interactions, Nucleic Acids Research, gkad630 (2023).
  • Jianyi Yang, Ambrish Roy, and Yang Zhang. BioLiP: a semi-manually curated database for biologically relevant ligand-protein interactions, Nucleic Acids Research, 41: D1096-D1103 (2013) (download the PDF file).